Cs8CdCl6
Alexandria ALEXAlex-ID: agm072571069 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_61_spg2
Cs2Cd CsCl
2024-10-05 15:42:30.261359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072571069).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm072571069
data_agm072571069
_cell_length_a 9.74692
_cell_length_b 9.74692
_cell_length_c 9.74692
_cell_angle_alpha 91.61045
_cell_angle_beta 91.61045
_cell_angle_gamma 91.61045
_cell_volume 924.86437
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1 Cs 0.73747 0.73747 0.73747 1.00000
Cs2 Cs 0.26253 0.26253 0.26253 1.00000
Cs3 Cs 0.84338 0.29720 0.60825 1.00000
Cs4 Cs 0.29720 0.60825 0.84338 1.00000
Cs5 Cs 0.60825 0.84338 0.29720 1.00000
Cs6 Cs 0.15662 0.70280 0.39175 1.00000
Cs7 Cs 0.70280 0.39175 0.15662 1.00000
Cs8 Cs 0.39175 0.15662 0.70280 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.42626 0.82450 0.60473 1.00000
Cl2 Cl 0.82450 0.60473 0.42626 1.00000
Cl3 Cl 0.60473 0.42626 0.82450 1.00000
Cl4 Cl 0.57374 0.17550 0.39527 1.00000
Cl5 Cl 0.17550 0.39527 0.57374 1.00000
Cl6 Cl 0.39527 0.57374 0.17550 1.00000
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